methyl 4-(4-cyclopentyloxy-3-iodanyl-5-methoxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-(4-cyclopentyloxy-3-iodanyl-5-methoxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-[4-(cyclopentoxy)-3-iodo-5-methoxy-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-cyclopentyloxy-3-iodo-5-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-cyclopentyloxy-3-iodo-5-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[4-(cyclopentoxy)-3-iodo-5-methoxy-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C19H23IN2O4S MolecularWeight: 502.36639

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC(=C(C(=C2)I)OC3CCCC3)OC)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC(=C(C(=C2)I)OC3CCCC3)OC)C(=O)OC

InChI

InChI=1S/C19H23IN2O4S/c1-10-15(18(23)25-3)16(22-19(27)21-10)11-8-13(20)17(14(9-11)24-2)26-12-6-4-5-7-12/h8-9,12,16H,4-7H2,1-3H3,(H2,21,22,27)